CID 217174

38221-46-4

Structural Information

Molecular Formula

C₁₂H₁₈N₄O

SMILES

CN1CCN(CC1)CNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)10-14-12(17)11-3-2-4-13-9-11/h2-4,9H,5-8,10H2,1H3,(H,14,17)

InChIKey

LEKLMQGQIOCIPL-UHFFFAOYSA-N

Compound name

N-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 234.14806 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.155336	155.4
[M+Na]+	257.137278	159.9
[M-H]-	233.140784	157.0
[M+NH4]+	252.181883	168.2
[M+K]+	273.111218	156.9
[M+H-H2O]+	217.145320	145.3
[M+HCOO]-	279.146261	172.6
[M+CH3COO]-	293.161911	192.6
[M+Na-2H]-	255.122726	160.2
[M]+	234.14751142	150.7
[M]-	234.14860858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe